CID 51057054

N-isopropyl-4-((4-methyl-2-oxo-2h-chromen-6-yl)oxy)butanamide

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OCCCC(=O)NC(C)C
InChI
InChI=1S/C17H21NO4/c1-11(2)18-16(19)5-4-8-21-13-6-7-15-14(10-13)12(3)9-17(20)22-15/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)
InChIKey
MZOJSPCMUDXPFS-UHFFFAOYSA-N
Compound name
4-(4-methyl-2-oxochromen-6-yl)oxy-N-propan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 170.9
[M+Na]+ 326.136278 178.0
[M-H]- 302.139784 176.1
[M+NH4]+ 321.180883 185.6
[M+K]+ 342.110218 176.6
[M+H-H2O]+ 286.144320 163.4
[M+HCOO]- 348.145261 191.9
[M+CH3COO]- 362.160911 209.3
[M+Na-2H]- 324.121726 174.7
[M]+ 303.14651142 176.5
[M]- 303.14760858 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.